N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide

C27H29FN2O5 — CID 122218723

IUPACN-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCN3CCCCC3)c(F)c2)c(-c2cccc(O)c2)c1O
InChIInChI=1S/C27H29FN2O5/c1-34-24-11-9-21(25(26(24)32)18-6-5-7-20(31)16-18)27(33)29-19-8-10-23(22(28)17-19)35-15-14-30-12-3-2-4-13-30/h5-11,16-17,31-32H,2-4,12-15H2,1H3,(H,29,33)
InChIKeySYGHIGZGQLCRGQ-UHFFFAOYSA-N
MW480.54 g/mol
LogP5.03
Rot. Bonds8

About N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide

N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide (PubChem CID 122218723) has the molecular formula C27H29FN2O5 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
PubChem CID122218723
Molecular FormulaC27H29FN2O5
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC NameN-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCN3CCCCC3)c(F)c2)c(-c2cccc(O)c2)c1O
InChIInChI=1S/C27H29FN2O5/c1-34-24-11-9-21(25(26(24)32)18-6-5-7-20(31)16-18)27(33)29-19-8-10-23(22(28)17-19)35-15-14-30-12-3-2-4-13-30/h5-11,16-17,31-32H,2-4,12-15H2,1H3,(H,29,33)
InChIKeySYGHIGZGQLCRGQ-UHFFFAOYSA-N
XLogP5.03
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 141047368
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide
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2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
CID 86597114
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea
CID 169040107
N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
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2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
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N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride
CID 44535104
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CID 71697979
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
4-[4-(2-aminoethyl)-2,6-dimethoxyphenoxy]-N-(2,6-dimethylphenyl)-2-[3-fluoro-4-(3-piperidin-1-ylpropoxy)anilino]pyrimidine-5-carboxamide
CID 69069499

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
The IUPAC name of N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide (CID 122218723) is N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
The canonical SMILES for N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(OCCN3CCCCC3)c(F)c2)c(-c2cccc(O)c2)c1O.
What is the InChIKey of N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
The InChIKey is SYGHIGZGQLCRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O5/c1-34-24-11-9-21(25(26(24)32)18-6-5-7-20(31)16-18)27(33)29-19-8-10-23(22(28)17-19)35-15-14-30-12-3-2-4-13-30/h5-11,16-17,31-32H,2-4,12-15H2,1H3,(H,29,33).
What are the key properties of N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide has a molecular weight of 480.54 g/mol, XLogP of 5.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide is sourced from PubChem (CID 122218723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).